Chemical ID: 3851749

CC1(Cc2ccccc2-c3n1c(nn3)SCCN4CCCCC4)C
Chemical ID:
3851749
Name [?]:
None
SMILES [?]:
CC1(Cc2ccccc2-c3n1c(nn3)SCCN4CCCCC4)C
InChi [?]:
InChI=1/C19H26N4S/c1-19(2)14-15-8-4-5-9-16(15)17-20-21-18(23(17)19)24-13-12-22-10-6-3-7-11-22/h4-5,8-9H,3,6-7,10-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,21,6,7,20,22,5,8,19,23,17,16,3,4,9,10,12,2,14,13,18,11,15/E:(1,2)(6,7)(10,11)/rA:24nCCCCCCCCCCNCNNSCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s2s10;s11;d12;d10s13;s12;s15;s16;s17;s18;s19;s20;s21;s18s22;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H26N4S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:12.0251
Area:544.184
Solvation:-1.57949
Coulombic:-19.8113
Bond Count [?]
All:27
Single:22
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:342.503
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.43
LogP (Chemaxon):3.46

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Descriptor Annotations

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